N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide

C17H26N2O3 — CID 109022613

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O3/c1-3-8-19(9-4-2)10-7-17(20)18-12-14-5-6-15-16(11-14)22-13-21-15/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,18,20)
InChIKeyCEWPBKDCYLJIKB-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.54
Rot. Bonds9

About N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide (PubChem CID 109022613) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
PubChem CID109022613
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
SMILESCCCN(CCC)CCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O3/c1-3-8-19(9-4-2)10-7-17(20)18-12-14-5-6-15-16(11-14)22-13-21-15/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,18,20)
InChIKeyCEWPBKDCYLJIKB-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
3-(dipropylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019798
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138355
3-[acetyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120764
6-amino-N-(1,3-benzodioxol-5-ylmethyl)hexanamide
CID 42764530
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 47081476
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide (CID 109022613) is N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide is CCCN(CCC)CCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide?
The InChIKey is CEWPBKDCYLJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-8-19(9-4-2)10-7-17(20)18-12-14-5-6-15-16(11-14)22-13-21-15/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide is sourced from PubChem (CID 109022613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).